Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHINFTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQELNLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQPLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3LBA Chain:A ((38-303))
--LKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWGRS------GKLIYGELAGRKVLALQGRFHYYEGNSMELVTFPIRIMKALGCQGLIVTNAAGGIG--FGPGTLMAISDHINLTGANPLMGENLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGFQSE-LN---VVAVTQQIKEDFKGLVKAILVEL-
General information:
TITO was launched using:
RESULT:
Template:
3LBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -195867 for 2218 contacts (-88.3/contact) +
2D Compatibility (PS) -27329 + (NN) -13234 + (LL) 856
1D Compatibility (HY) -28000 + (ID) 6900
Total energy: -270474.0 ( -121.94 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_3LBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LBA-query.scw
PDB file :
Tito_Scwrl_3LBA.pdb
: